Monomers

4,4-Dimethyl-2-vinyloxazol-5(4H)-one

Identifiers

IUPAC name
2-ethenyl-4,4-dimethyl-1,3-oxazol-5-one
InchI
InChI=1S/C7H9NO2/c1-4-5-8-7(2,3)6(9)10-5/h4H,1H2,2-3H3
InchI Key
QKPKBBFSFQAMIY-UHFFFAOYSA-N
SMILES
C=CC1=NC(C(=O)O1)(C)C
Canonical SMILES
CC1(C(=O)OC(=N1)C=C)C
Isomeric SMILES
CC1(C(=O)OC(=N1)C=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H9NO2
Heavy Atom Count
10
Molecular Weight
139.154
Exact Molecular Weight
139.0633
Valence Electrons
54
Radical Electrons
0
tPSA
38.66
MolLogP
0.9063
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.5062    0.5926    0.5867 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4772    0.9138   -0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1473    0.3341    0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0923    0.5792   -0.6501 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0384   -0.1659   -0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4831   -0.9437    0.9511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0510   -1.7482    1.7003 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8545   -0.5937    1.0255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5558   -1.1464   -1.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1634    0.7347    0.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3531   -0.1160    1.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4852    1.0056    0.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6364    1.6284   -0.9652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4596   -0.7122   -1.6753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8008   -2.1237   -0.7532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7677   -1.2660   -1.9997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7056    1.1074   -0.6083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8141    0.2746    1.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7127    1.6457    0.7747 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  5 10  1  0
  8  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  9 14  1  0
  9 15  1  0
  9 16  1  0
 10 17  1  0
 10 18  1  0
 10 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers